ChemSpider 2D Image | (1alpha,1'xi)-6,6',7-Trimethoxy-2,2'-dimethyloxyacanthan-12'-ol | C37H40N2O6

(1α,1'ξ)-6,6',7-Trimethoxy-2,2'-dimethyloxyacanthan-12'-ol

  • Molecular FormulaC37H40N2O6
  • Average mass608.723 Da
  • Monoisotopic mass608.288635 Da
  • ChemSpider ID5145018
  • defined stereocentres - 1 of 2 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1α,1'ξ)-6,6',7-Trimethoxy-2,2'-dimethyloxyacanthan-12'-ol [ACD/IUPAC Name]
(1α,1'ξ)-6,6',7-Trimethoxy-2,2'-dimethyloxyacanthan-12'-ol [German] [ACD/IUPAC Name]
(1α,1'ξ)-6,6',7-Triméthoxy-2,2'-diméthyloxyacanthan-12'-ol [French] [ACD/IUPAC Name]

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

NCIMech_000113 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 707.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.1±3.0 kJ/mol
Flash Point: 381.4±32.9 °C
Index of Refraction: 1.602
Molar Refractivity: 173.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 1.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.28
ACD/LogD (pH 7.4): 4.11
ACD/BCF (pH 7.4): 553.99
ACD/KOC (pH 7.4): 2134.21
Polar Surface Area: 73 Å2
Polarizability: 68.7±0.5 10-24cm3
Surface Tension: 44.7±3.0 dyne/cm
Molar Volume: 505.6±3.0 cm3

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